[(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octadecoxy-propan-2-yl] docosanoate

Systemtic Name: [(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octadecoxy-propan-2-yl] docosanoate Openeye Name: [(1R)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-octadecoxy-ethyl] docosanoate CAS Name: docosanoic acid [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] ester IUPAC Name: [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] docosanoate Traditional Name: behenic acid [(1R)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-stearyloxy-ethyl] ester Formula: C45H92NO7P MolecularWeight: 790.188241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN

InChI

InChI=1S/C45H92NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h44H,3-43,46H2,1-2H3,(H,48,49)/t44-/m1/s1